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Space group determination: Difference between revisions
→Space group selected by XDS: ambiguous with respect to enantiomorph and screw axes
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In many cases the automatic choice is the correct one, and re-running the CORRECT step is then not necessary. However, neither the correct enantiomorph nor screw axes (see below) are determined automatically by XDS. | In many cases the automatic choice is the correct one, and re-running the CORRECT step is then not necessary. However, neither the correct enantiomorph nor screw axes (see below) are determined automatically by XDS. | ||
== Table of space groups to consider based on CORRECT suggestion == | |||
{| cellpadding="10" cellspacing="0" border="1" | {| cellpadding="10" cellspacing="0" border="1" | ||
! If CORRECT suggests | ! If CORRECT suggests | ||
| Line 23: | Line 22: | ||
|- | |- | ||
| 21 || 20 || screw axis listing does not let you decide | | 21 || 20 || screw axis listing does not let you decide | ||
|- | |||
| 22 || - || | |||
|- | |- | ||
| 23 || 24 || screw axis listing does not let you decide | | 23 || 24 || screw axis listing does not let you decide | ||
| Line 35: | Line 36: | ||
|- | |- | ||
| 143 || 144, 145 || screw axis listing lets you decide, except between 144/145 enantiomorphs | | 143 || 144, 145 || screw axis listing lets you decide, except between 144/145 enantiomorphs | ||
|- | |||
| 146 || - || | |||
|- | |- | ||
| 149 || 151, 153 || screw axis listing lets you decide, except between 151/153 enantiomorphs | | 149 || 151, 153 || screw axis listing lets you decide, except between 151/153 enantiomorphs | ||
|- | |||
| 150 || 152, 154 || screw axis listing lets you decide, except between 152/154 enantiomorphs | |||
|- | |||
| 155 || - || | |||
|- | |||
| 168 || 169, 170, 171, 172, 173 || screw axis listing lets you decide, except between 169/170 and 171/172 enantiomorphs | |||
|- | |||
| 177 || 178, 179, 180, 181, 182 || screw axis listing lets you decide, except between 178/179 and 180/181 enantiomorphs | |||
|- | |||
| 195 || 198 || screw axis listing lets you decide | |||
|- | |||
| 196 || - || | |||
|- | |||
| 197 || 199 || screw axis listing does not let you decide | |||
|- | |||
| 207 || 208, 212, 213 || screw axis listing lets you decide, except between 212/213 enantiomorphs | |||
|- | |||
| 209 || 210 || FIXME: does screw axis listing let you decide? | |||
|- | |||
| 211 || 214 || screw axis listing lets you decide | |||
|- | |- | ||
|} | |} | ||
'''Attention''': this table was set up on February 15, 2015 and has been not verified by anyone. | |||
== Space group selected by user == | == Space group selected by user == | ||